2-(6-bromo-3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-butylacetamide

C16H20BrN3O2S — CID 18078900

IUPAC2-(6-bromo-3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-butylacetamide
SMILESCCCCNC(=O)CSc1nc2ccc(Br)cc2c(=O)n1CC
InChIInChI=1S/C16H20BrN3O2S/c1-3-5-8-18-14(21)10-23-16-19-13-7-6-11(17)9-12(13)15(22)20(16)4-2/h6-7,9H,3-5,8,10H2,1-2H3,(H,18,21)
InChIKeyWVHLRVVMHZLJDB-UHFFFAOYSA-N
MW398.33 g/mol
LogP3.19
Rot. Bonds7

About 2-(6-bromo-3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-butylacetamide

2-(6-bromo-3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-butylacetamide (PubChem CID 18078900) has the molecular formula C16H20BrN3O2S and a molecular weight of 398.33 g/mol. Its IUPAC name is 2-(6-bromo-3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-butylacetamide.

Molecular Properties

Compound Name2-(6-bromo-3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-butylacetamide
PubChem CID18078900
Molecular FormulaC16H20BrN3O2S
Molecular Weight398.33 g/mol
Exact Mass397.05
IUPAC Name2-(6-bromo-3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-butylacetamide
SMILESCCCCNC(=O)CSc1nc2ccc(Br)cc2c(=O)n1CC
InChIInChI=1S/C16H20BrN3O2S/c1-3-5-8-18-14(21)10-23-16-19-13-7-6-11(17)9-12(13)15(22)20(16)4-2/h6-7,9H,3-5,8,10H2,1-2H3,(H,18,21)
InChIKeyWVHLRVVMHZLJDB-UHFFFAOYSA-N
XLogP3.19
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.33
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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CID 18078904
2-(6-bromo-3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-butan-2-ylacetamide
CID 18078897
2-(6-bromo-4-oxo-3-pentylquinazolin-2-yl)sulfanyl-N-tert-butylacetamide
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N-butyl-2-[6-chloro-3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
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2-(6-bromo-3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-(2-methyl-1-phenylpropyl)acetamide
CID 55468566
2-(6-bromo-4-oxo-3-propylquinazolin-2-yl)sulfanyl-N-(3-methylbutan-2-yl)acetamide
CID 42984932
N-(butylcarbamoyl)-2-(3-ethyl-4-oxobenzo[g]quinazolin-2-yl)sulfanylacetamide
CID 8973360
N-butyl-2-(3-ethyl-4-oxopyrido[2,3-d]pyrimidin-2-yl)sulfanylacetamide
CID 17442753
N-butyl-2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanylacetamide
CID 7738113
N-butyl-2-(3-butyl-6-morpholin-4-yl-4-oxoquinazolin-2-yl)sulfanylacetamide
CID 22589719
2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-(2-phenylethyl)acetamide
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Frequently Asked Questions

What is the IUPAC name of 2-(6-bromo-3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-butylacetamide?
The IUPAC name of 2-(6-bromo-3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-butylacetamide (CID 18078900) is 2-(6-bromo-3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-butylacetamide.
What is the SMILES notation for 2-(6-bromo-3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-butylacetamide?
The canonical SMILES for 2-(6-bromo-3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-butylacetamide is CCCCNC(=O)CSc1nc2ccc(Br)cc2c(=O)n1CC.
What is the InChIKey of 2-(6-bromo-3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-butylacetamide?
The InChIKey is WVHLRVVMHZLJDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrN3O2S/c1-3-5-8-18-14(21)10-23-16-19-13-7-6-11(17)9-12(13)15(22)20(16)4-2/h6-7,9H,3-5,8,10H2,1-2H3,(H,18,21).
What are the key properties of 2-(6-bromo-3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-butylacetamide?
2-(6-bromo-3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-butylacetamide has a molecular weight of 398.33 g/mol, XLogP of 3.19, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromo-3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-butylacetamide is sourced from PubChem (CID 18078900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).